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Hi--
>
> Can anyone help me create a template for a D-amino acids in xplornih, to be
> more specific a D-CYS.
>
Sorry for taking a while to reply- I was waiting for someone with actual
practical experience.
The standard topology file includes the patch LtoD, which changes an L-amino
acid to D-
An example of using the patch is:
patch LtoD
reference=nil=( resid 8 ) ! change to match the correct resid
end
In the Python interface, I've updated psfGen by adding a new function
dAmino which will change a specified residue form L- to D-. I've placed
this in the updates section of the web site:
http://nmr.cit.nih.gov/xplor-nih/updates/2.10/
Be careful with coordinates- starting with L- coordinate will not
usually work. However, starting from random coordinates as in the
eginput/protG example should work fine.
best regards--
Charles
- --
Charles Schwieters email: [email protected]
www: http://schwieters.org/cds
phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt
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